Structure of PDB 1xw5 Chain B Binding Site BS01

Receptor Information

>1xw5 Chain B (length=217) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PMTLGYWNIRGLAHSIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEKF
KLGLDFPNLPYLIDGTHKITQSNAILRYIARKHNLCGESEKEQIREDILE
NQFMDSRMQLAKLCYDPDFEKLKPEYLQALPEMLKLYSQFLGKQPWFLGD
KITFVDFIAYDVLERNQVFEPSCLDAFPNLKDFISRFEGLEKISAYMKSS
RFLPRPVFTKMAVWGNK

Ligand information

Ligand ID

GSH

InChI

InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1

InChIKey

RWSXRVCMGQZWBV-WDSKDSINSA-N

SMILES

Software	SMILES
ACDLabs 12.01	O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6	C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370	N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6	C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N

Formula

C10 H17 N3 O6 S

Name

GLUTATHIONE

PDB chain

1xw5 Chain B Residue 472 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1xw5 Cloning, Expression, and Characterization of a Class-Mu Glutathione Transferase from Human Muscle, the Product of the Gst4 Locus
Resolution	1.8 Å
Binding residue (original residue number in PDB)	Y6 W7 L12 W45 K49 N58 L59 Q71 S72
Binding residue (residue number reindexed from 1)	Y6 W7 L12 W45 K49 N58 L59 Q71 S72
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	Y6 L12 R17
Catalytic site (residue number reindexed from 1)	Y6 L12 R17
Enzyme Commision number	2.5.1.18: glutathione transferase.

Gene Ontology

	Molecular Function
GO:0004364	glutathione transferase activity
GO:0004602	glutathione peroxidase activity
GO:0005102	signaling receptor binding
GO:0005504	fatty acid binding
GO:0005515	protein binding
GO:0016740	transferase activity
GO:0019899	enzyme binding
GO:0042802	identical protein binding
GO:0042803	protein homodimerization activity
GO:0043295	glutathione binding

	Biological Process
GO:0006629	lipid metabolic process
GO:0006749	glutathione metabolic process
GO:0010880	regulation of release of sequestered calcium ion into cytosol by sarcoplasmic reticulum
GO:0010881	regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion
GO:0014809	regulation of skeletal muscle contraction by regulation of release of sequestered calcium ion
GO:0018916	nitrobenzene metabolic process
GO:0042178	xenobiotic catabolic process
GO:0043651	linoleic acid metabolic process
GO:0051122	hepoxilin biosynthetic process
GO:0055119	relaxation of cardiac muscle
GO:0060315	negative regulation of ryanodine-sensitive calcium-release channel activity
GO:0060316	positive regulation of ryanodine-sensitive calcium-release channel activity
GO:0070458	cellular detoxification of nitrogen compound
GO:0071313	cellular response to caffeine
GO:0098869	cellular oxidant detoxification

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0016529	sarcoplasmic reticulum
GO:0045171	intercellular bridge
GO:0070062	extracellular exosome

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:1xw5, PDBe:1xw5, PDBj:1xw5
PDBsum	1xw5
PubMed
UniProt	P28161\|GSTM2_HUMAN Glutathione S-transferase Mu 2 (Gene Name=GSTM2)

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